AG00394O

386-70-9 | 3-CHLORO-2-NITROBENZOTRIFLUORIDE

AG00394O

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CAS Number	386-70-9
Catalog Number	AG00394O(AGN-PC-025GYX)
Chemical Name	3-CHLORO-2-NITROBENZOTRIFLUORIDE
IUPAC Name	1-chloro-2-nitro-3-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3ClF3NO2/c8-5-3-1-2-4(7(9,10)11)6(5)12(13)14/h1-3H
InChI Key	ZECBOHAXBNGMSP-UHFFFAOYSA-N
MDL Number	MFCD00272563
Molecular Formula	C7H3ClF3NO2
Molecular Weight	225.5524
SMILES	ClC1=C(C(=CC=C1)C(F)(F)F)[N+](=O)[O-]
Synonyms	3-Chloro-2-nitrobenzotrifluoride, 386-70-9, 1-Chloro-2-nitro-3-(trifluoromethyl)benzene, MFCD00272563, Benzene, chloronitro(trifluoromethyl)-, SCHEMBL6429, CTK1D0460, ZECBOHAXBNGMSP-UHFFFAOYSA-N, KS-000010CI, ZINC2564417, 5002AB, ANW-55902, AKOS005259310, AM62325, AS05922, CM13230, AJ-41028, AS-30441, 2-Chloro-6-trifluoromethyl-1-nitrobenzene, TR-015582, Benzene, 1-chloro-2-nitro(trifluoromethyl)-, FT-0615359, 2-NITRO-3-TRIFLUOROMETHYLCHLOROBENZENE, Benzene,1-chloro-2-nitro-3-(trifluoromethyl)-, BENZENE, 1-CHLORO-2-NITRO-3-(TRIFLUOROMETHYL)-, 497834-85-2, C7H3ClF3NO2, ACN-055924,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.98g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.551g/mol
Monoisotopic Mass	224.98g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

Lot Number